SCHEMBL978201

SCHEMBL978201

CCCCC(=O)CN=C=S

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.43
CES1 P23141 6/20 0.41
CES2 O00748 5/20 0.41
ALDH1A1 P00352 3/20 0.38
TP53 P04637 1/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
CA1 P00915 1/20 0.37
HAO1 Q9UJM8 1/20 0.34
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
AKR1B1 P15121 1/20 0.33
PPARG P37231 3/20 0.32
PPARD Q03181 3/20 0.32
PPARA Q07869 3/20 0.32
TSHR P16473 2/20 0.32
GPR84 Q9NQS5 2/20 0.32
HDAC11 Q96DB2 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
SLC22A6 Q4U2R8 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21777580 0.94 NAAA (0.47) NAAACES1CES2ALDH1A1KMT2A
SCHEMBL30484221 0.82 NAAA (0.52) NAAACES1CES2ALDH1A1TP53
SCHEMBL3119816 0.80 NAAA (0.61) NAAACES1CES2ALDH1A1TP53
SCHEMBL3115794 0.73 NAAA (0.52) NAAAALDH1A1TP53KMT2AMAPT
SCHEMBL3128515 0.72 NAAA (0.55) NAAAALDH1A1TP53KMT2AMAPT
SCHEMBL7684249 0.71
SCHEMBL27757367 0.71 CES1 (0.65) CES1CES2ALDH1A1TP53KMT2A
SCHEMBL106334 0.71 CES1 (0.65) CES1CES2ALDH1A1TP53KMT2A
SCHEMBL3120743 0.69 NAAA (0.52) NAAAALDH1A1TP53KEAP1NFE2L2
SCHEMBL2124601 0.69 CES1 (0.55) CES1CES2ALDH1A1TP53KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023096511-A1 DRUG LIPID CARRIER, PHARMACEUTICAL FORMULATION, USES THEREOF AND METHOD FOR PREPARATION OF DRUG LIPID CARRIER, CARRIER OBTAINED BY THIS METHOD AND USES THEREOF UNIWERSYTET WARSZAWSKI (PL) 2023-06-01 WO claimed
EP-3846790-A1 COMBINATION OF ISOTHIOCYANATES WITH ORGANIC SELENIUM COMPOUNDS ENCAPSULATED IN DRUG CARRIERS AS NEW PHARMACEUTICAL AGENTS WITH ANTI-TUMOR ACTIVITY Narodowy Instytut Leków W Warszawie (PL) 2021-07-14 EP claimed
EP-3843754-A1 CONJUGATES OF SELENIUM AND ISOTHIOCYANATE NANOPARTICLES FOR USE IN THE TREATMENT OF TUMORS Narodowy Instytut Leków W Warszawie (PL) 2021-07-07 EP claimed
WO-2020046153-A1 CONJUGATES OF SELENIUM AND ISOTHIOCYANATE NANOPARTICLES FOR USE IN THE TREATMENT OF TUMORS NARODOWY INSTYTUT LEKÓW W WARSZAWIE (PL) 2020-03-05 WO claimed
US-7879822-B2 Stabilized sulforaphane PHARMAGRA LABS, INC. (US) 2011-02-01 US claimed
EP-3843754-B1 CONJUGATES OF SELENIUM AND ISOTHIOCYANATE NANOPARTICLES FOR USE IN THE TREATMENT OF BREAST CANCER NARODOWY INST LEKOW W WARSZAWIE (PL) 2024-02-07 EP disclosed
WO-2023096511-A1 DRUG LIPID CARRIER, PHARMACEUTICAL FORMULATION, USES THEREOF AND METHOD FOR PREPARATION OF DRUG LIPID CARRIER, CARRIER OBTAINED BY THIS METHOD AND USES THEREOF UNIWERSYTET WARSZAWSKI (PL) 2023-06-01 WO disclosed
EP-3846790-A1 COMBINATION OF ISOTHIOCYANATES WITH ORGANIC SELENIUM COMPOUNDS ENCAPSULATED IN DRUG CARRIERS AS NEW PHARMACEUTICAL AGENTS WITH ANTI-TUMOR ACTIVITY Narodowy Instytut Leków W Warszawie (PL) 2021-07-14 EP disclosed
EP-3843754-A1 CONJUGATES OF SELENIUM AND ISOTHIOCYANATE NANOPARTICLES FOR USE IN THE TREATMENT OF TUMORS Narodowy Instytut Leków W Warszawie (PL) 2021-07-07 EP disclosed
WO-2020046153-A1 CONJUGATES OF SELENIUM AND ISOTHIOCYANATE NANOPARTICLES FOR USE IN THE TREATMENT OF TUMORS NARODOWY INSTYTUT LEKÓW W WARSZAWIE (PL) 2020-03-05 WO disclosed
US-20160166643-A1 USE OF NRF2 INDUCERS TO TREAT EPIDERMOLYSIS BULLOSA SIMPLEX AND RELATED DISEASES THE JOHNS HOPKINS UNIVERSITY 2016-06-16 US disclosed
US-9308192-B2 Use of NRF2 inducers to treat epidermolysis bullosa simplex and related diseases THE JOHNS HOPKINS UNIVERSITY (US) 2016-04-12 US disclosed
US-20140243267-A1 USE OF NRF2 INDUCERS TO TREAT EPIDERMOLYSIS BULLOSA SIMPLEX AND RELATED DISEASES THE JOHNS HOPKINS UNIVERSITY (US) 2014-08-28 US disclosed
US-20110003747-A1 USE OF NRF2 INDUCERS TO TREAT EPIDERMOLYSIS BULLOSA SIMPLEX AND RELATED DISEASES NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2011-01-06 US disclosed
WO-2009014624-A2 NRF2 INDUCERS FOR TREATING EPIDERMOLYSIS BULLOSA SIMPLEX JOHNS HOPKINS UNIVERSITY (US) 2009-01-29 WO disclosed
US-5589504-A Treatment of newborn jaundice CORNELL RESEARCH FOUNDATION, INC. (US) 1996-12-31 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140243267-A1 USE OF NRF2 INDUCERS TO TREAT EPIDERMOLYSIS BULLOSA SIMPLEX AND RELATED DISEASES KEAP1, NFE2L2, KRT18 NAAA 2111/4885CES1 1548/4885CES2 3280/4885
US-20110003747-A1 USE OF NRF2 INDUCERS TO TREAT EPIDERMOLYSIS BULLOSA SIMPLEX AND RELATED DISEASES KEAP1, NFE2L2, KRT18 NAAA 2111/4885CES1 1548/4885CES2 3280/4885
US-20160166643-A1 USE OF NRF2 INDUCERS TO TREAT EPIDERMOLYSIS BULLOSA SIMPLEX AND RELATED DISEASES KEAP1, NFE2L2, KRT18 NAAA 2111/4885CES1 1548/4885CES2 3280/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.